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Tutorials and Examples

LMGP suite for Windows by Jean Laugier and Bernard Bochu

(Laboratoire des Materiaux et du Génie Physique de l'Ecole Supérieure de Physique de Grenoble http://www.inpg.fr/LMGP/)

Using GRETEP (Grenoble Thermal Ellipsoids Plot) to graphically perform Mean Plane Determination

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [LMGP Suite Index]

Caveate

Due to problems/limitations in the Delphi development system, Gretep needs Windows to be running in (the normally default) Small Fonts Mode; other wise the window sizes and menus can go very strange. For more information on this, refer to the page on Strange Font Size Problems


GRETEP (Grenoble Thermal Ellipsoids Plot) is quite simple to use and is obtained from the LMGP program suite site at http://www.ccp14.ac.uk/ccp/web-mirrors/lmgp-laugier-bochu/.

To perform Mean Plane Determination with GRETEP; load your structure file and get the molecules and view you desire.

Gretep Main Screen


Select the Mean Plane Determination icon to bring up the Mean Plane Calculator on the right had side of the Gretep screen.

Bring up the mean plane calculator


Select the desired atoms to calculate the first plane and press the Calculate Icon to give you the mean plane information.

Select and calculate the first Plane


Select the next set of desired atoms for the second plane and press the Calculate Icon to give you the mean plane information and the Angle of the first Plane with the second Plane.

Select and calculate the first Plane


Continue on doing this type of analysis for as long as it makes you happy doing so. Printing the results from the right hand "Mean Plane Calculation" menu will send the result to MS Wordpad for inclusion into a spreadsheet or your favourite Word Processor.


[Tutorials page] | [LMGP Suite Index]

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If you have any queries or comments, please feel free to contact the CCP14